0983-0001 Screening compound: methyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate

0983-0001 Screening compound: methyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate
0983-0001 Screening compound: methyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0983-0001
methyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0983-0001

Molecular Formula

C22H13NO5 (C22 H13 NO5)

Compound Name

methyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate

IUPAC name

methyl 2-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

COC(c(cc1)cc(C(N2c(cc3)cc4c3c(cccc3)c3o4)=O)c1C2=O)=O

InChI

InChI=1S/C22H13NO5/c1-27-22(26)12-6-8-16-17(10-12)21(25)23(20(16)24)13-7-9-15-14-4-2-3-5-18(14)28-19(15)11-13/h2-11H,1H3

InChI Key

YAZVXDKXHPZOPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00590395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.21

Polar Surface Area

57.968

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 0983-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0983-0001?
Check Price and Availability of 0983-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0983-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0983-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0983-0001
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0983-0001 available by request